In the medieval period, the five-towered fortress was actually known as Castrum Leonis or Castle Lyons because it had a lion motif carved into the stonework above its main gate.

The design of the castle featured towers that were built against the face of the rock outside the curtain wall, similar to the inner wards at Ruthin and at Conwy.

In 1282 Edward presented the Welsh lands of Bromfield and Yale in which Holt was situated to loyal lord John de Warrene, who was also given the task of completing the castle.

The English Elizabethan map maker John Norden surveyed the castle and noted that it was "nowe in great decay".

In 2015, four years of extensive restoration work to remove vegetation, install steps and repair extant masonry was completed.